CID 23278256

4-amino-2-ethylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C7H8N4
SMILES
CCC1=NC=C(C(=N1)N)C#N
InChI
InChI=1S/C7H8N4/c1-2-6-10-4-5(3-8)7(9)11-6/h4H,2H2,1H3,(H2,9,10,11)
InChIKey
IICZPRJRQVCUPF-UHFFFAOYSA-N
Compound name
4-amino-2-ethylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

148.07489 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 129.1
[M+Na]+ 171.06411 139.5
[M-H]- 147.06761 129.4
[M+NH4]+ 166.10871 145.4
[M+K]+ 187.03805 137.3
[M+H-H2O]+ 131.07215 115.3
[M+HCOO]- 193.07309 148.2
[M+CH3COO]- 207.08874 190.9
[M+Na-2H]- 169.04956 135.7
[M]+ 148.07434 123.0
[M]- 148.07544 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe